2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C13H7ClF3N5O2 — CID 70566503

IUPAC2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1
InChIInChI=1S/C13H7ClF3N5O2/c14-9-3-8(4-10(5-9)24-13(15,16)17)12-18-6-22(21-12)2-1-11-20-19-7-23-11/h1-7H/b2-1-
InChIKeyCGNRRTXTVWMZJV-UPHRSURJSA-N
MW357.68 g/mol
LogP3.51
Rot. Bonds4

About 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 70566503) has the molecular formula C13H7ClF3N5O2 and a molecular weight of 357.68 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID70566503
Molecular FormulaC13H7ClF3N5O2
Molecular Weight357.68 g/mol
Exact Mass357.02
IUPAC Name2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1
InChIInChI=1S/C13H7ClF3N5O2/c14-9-3-8(4-10(5-9)24-13(15,16)17)12-18-6-22(21-12)2-1-11-20-19-7-23-11/h1-7H/b2-1-
InChIKeyCGNRRTXTVWMZJV-UPHRSURJSA-N
XLogP3.51
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 70566503) is 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is FC(F)(F)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.
What is the InChIKey of 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is CGNRRTXTVWMZJV-UPHRSURJSA-N. The full InChI is InChI=1S/C13H7ClF3N5O2/c14-9-3-8(4-10(5-9)24-13(15,16)17)12-18-6-22(21-12)2-1-11-20-19-7-23-11/h1-7H/b2-1-.
What are the key properties of 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 357.68 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70566503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).